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Chemical ID: 3948660

COC(=O)c1ccc(cc1)NC(=O)CN2CCC(CC2)C(=O)c3ccc(cc3)F

Chemical ID:

3948660

Name [?]:

methyl 4-[2-[4-(4-fluorobenzoyl)-1-piperidyl]acetyl]aminobenzoate

SMILES [?]:

COC(=O)c1ccc(cc1)NC(=O)CN2CCC(CC2)C(=O)c3ccc(cc3)F

InChi [?]:

InChI=1/C22H23FN2O4/c1-29-22(28)17-4-8-19(9-5-17)24-20(26)14-25-12-10-16(11-13-25)21(27)15-2-6-18(23)7-3-15/h2-9,16H,10-14H2,1H3,(H,24,26)

InChi Info:

AuxInfo=1/1/N:1,24,28,6,10,25,27,7,9,17,19,16,20,14,23,18,5,26,8,12,21,3,29,11,15,13,22,4,2/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:29nCOCOCCCCCCNCOCNCCCCCCOCCCCCCF/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;s16;s17;s18;s15s19;s18;d21;s21;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₃FN₂O₄
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	9.58112
Area:	628.001
Solvation:	-6.11891
Coulombic:	-56.0714

Bond Count [?]

All:	31
Single:	22
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	398.427
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	2.76
LogP (Chemaxon):	2.5

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value